High-resolution free energy landscape analysis of protein folding.
High-resolution free energy landscape analysis of protein folding.
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DOI：
10.1042/bst20140260
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发表时间：
2015-04
影响因子：
3.9
通讯作者：
P. Banushkina;S. Krivov
中科院分区：
文献类型：
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作者：
P. Banushkina;S. Krivov
自由能景观可以提供折叠动力学的定量描述，如果确定为一个最佳选择的反应坐标的函数。的配置文件连同最佳坐标允许一个直接确定这样的基本属性的折叠动力学的最小值和过渡状态的配置，障碍的高度，前指数因子的值及其与过渡路径时间的关系。在本研究中，我们回顾的框架，特别是，方法来确定这样一个最佳的坐标，并将其应用于模拟蛋白质折叠动力学分析。
The free energy landscape can provide a quantitative description of folding dynamics, if determined as a function of an optimally chosen reaction coordinate. The profile together with the optimal coordinate allows one to directly determine such basic properties of folding dynamics as the configurations of the minima and transition states, the heights of the barriers, the value of the pre-exponential factor and its relation to the transition path times. In the present study, we review the framework, in particular, the approach to determine such an optimal coordinate, and its application to the analysis of simulated protein folding dynamics.